Open Cheminformatics Processes

The purpose of this page is to list chemical data sources and web services that are free to use and explore how they can be integrated in an open drug discovery process.
(Also see relevant threads from mailing list)

Molecule Libraries

1. ChemSpider
2. CombiUgi Web Service (Guha) sample libraries

Target Identification Services

Web Services

1. Tumor Cell-Line Inhibitor Predictor (Guha)
2. Soichet Docking Service (pending)

Free Docking Software

1. ArgusLab

Workflow Management

1. MyExperiment/Taverna
2. Collaborative Drug Discovery
3. ChemSpider

Prototype Web Interface

Simple 2D Workflow - Story